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arXiv:2510.00129cs.LG

BigBang-Proton Technical Report: Next-Word-Prediction is Scientific Multitask Learner

Hengkui Wu, Liujiang Liu, Jihua He, Qihao Wang, Keke Zhao, Shuyang Hu, Renle Fu, Dahao Liang, Lingyu Zeng, Bruce Liu, Yuan Liu, Jin Zhan, Jiaqiang Niu, Xinglong Jia, Yaqin Hu, Wenjun Ji, Panpan Chi, Ken Chen, Hengyuan Wu, Yingsi Xin, Yongfeng Zhu, Yuexin Wang, Manqi Ruan, Ningtao Bian, Xiaohua Wu, Weipeng Xu

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Abstract

We introduce BigBang-Proton, a unified sequence-based architecture for auto-regressive language modeling pretrained on cross-scale, cross-structure, cross-discipline real-world scientific tasks to construct a scientific multi-task learner. BigBang-Proton incorporates three fundamental innovations compared to mainstream general-purpose LLMs: Theory-Experiment Learning paradigm aligns large-scale numerical experimental data with theoretical text corpora; Binary Patch Encoding replaces byte pair encoding(BPE) tokenization; Monte Carlo Attention substitutes traditional transformer architectures. Through next-word-prediction pretraining on cross-discipline scientific datasets of real-world problems mixed with general textual corpus, followed by fine-tuning and inference on downstream tasks, BigBang-Proton demonstrates 100\% accuracy in up to 50-digit arithmetic addition operations, performance on par with leading specialized models in particle physics jet tagging, matching MAE of specialized models in inter-atomic potential simulation, performance comparable to traditional spatiotemporal models in water quality prediction, and benchmark-exceeding performance in genome modeling. These results prove that language-guided scientific computing can match or exceed the performance of task-specific scientific models while maintaining multitask learning capabilities. We further hypothesize to scale the pretraining to the universe scale as a fundamental step toward developing material world foundational model.

arXiv comments
93 pages, 39 figures
Journal reference
DOI
Subjects
cs.LGMachine Learning cond-mat.mtrl-sciMaterials Science cs.AIArtificial Intelligence physics.comp-phComputational Physics

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